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{
"id": "mp-1179119",
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"structure_string": "Sr1 In1 Cu3 Se4\n1.0\n6.218877 0.000000 0.000000\n0.000000 6.218877 0.000000\n0.000000 0.000000 6.218877\nSr In Cu Se\n1 1 3 4\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.234741 0.234741 0.234741 Se\n0.765259 0.765259 0.234741 Se\n0.234741 0.765259 0.765259 Se\n0.765259 0.234741 0.765259 Se\n",
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{
"id": "mp-1179695",
"created_at": "2022-09-04T14:39:23.318669Z",
"structure_string": "Sr4 Bi4 Br20 O32\n1.0\n9.448469 0.000000 0.000000\n0.000000 12.833584 0.000000\n0.000000 0.000000 16.035079\nSr Bi Br O\n4 4 20 32\ndirect\n0.500000 0.126829 0.880251 Sr\n0.500000 0.873171 0.119749 Sr\n0.500000 0.373171 0.380251 Sr\n0.500000 0.626829 0.619749 Sr\n0.000000 0.185719 0.487795 Bi\n0.000000 0.814281 0.512205 Bi\n0.000000 0.314281 0.987795 Bi\n0.000000 0.685719 0.012205 Bi\n0.000000 0.996915 0.619135 Br\n0.000000 0.003085 0.380865 Br\n0.000000 0.503085 0.119135 Br\n0.000000 0.496915 0.880865 Br\n0.697993 0.219686 0.505496 Br\n0.697993 0.780314 0.494504 Br\n0.302007 0.280314 0.005496 Br\n0.302007 0.719686 0.994504 Br\n0.302007 0.780314 0.494504 Br\n0.302007 0.219686 0.505496 Br\n0.697993 0.719686 0.994504 Br\n0.697993 0.280314 0.005496 Br\n0.000000 0.306127 0.632575 Br\n0.000000 0.693873 0.367425 Br\n0.000000 0.193873 0.132575 Br\n0.000000 0.806127 0.867425 Br\n0.000000 0.343048 0.376022 Br\n0.000000 0.656952 0.623978 Br\n0.000000 0.156952 0.876022 Br\n0.000000 0.843048 0.123978 Br\n0.645629 0.995564 0.959868 O\n0.645629 0.004436 0.040132 O\n0.354371 0.504436 0.459868 O\n0.354371 0.495564 0.540132 O\n0.354371 0.004436 0.040132 O\n0.354371 0.995564 0.959868 O\n0.645629 0.495564 0.540132 O\n0.645629 0.504436 0.459868 O\n0.500000 0.288292 0.951450 O\n0.500000 0.711708 0.048550 O\n0.500000 0.211708 0.451450 O\n0.500000 0.788292 0.548550 O\n0.500000 0.008011 0.537903 O\n0.500000 0.991989 0.462097 O\n0.500000 0.491989 0.037903 O\n0.500000 0.508011 0.962097 O\n0.674724 0.169511 0.749252 O\n0.674724 0.830489 0.250748 O\n0.325276 0.330489 0.249252 O\n0.325276 0.669511 0.750748 O\n0.325276 0.830489 0.250748 O\n0.325276 0.169511 0.749252 O\n0.674724 0.669511 0.750748 O\n0.674724 0.330489 0.249252 O\n0.714729 0.759301 0.768475 O\n0.714729 0.240699 0.231525 O\n0.285271 0.740699 0.268475 O\n0.285271 0.259301 0.731525 O\n0.285271 0.240699 0.231525 O\n0.285271 0.759301 0.768475 O\n0.714729 0.259301 0.731525 O\n0.714729 0.740699 0.268475 O\n",
"nsites": 60,
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"density_atomic": 0.030858211150497545,
"volume": 1944.3771289066633,
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"formula_full": "Sr4 Bi4 Br20 O32",
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"spacegroup": 55
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{
"id": "mp-976424",
"created_at": "2022-09-04T14:40:15.365346Z",
"structure_string": "Li1 La3\n1.0\n5.116069 0.000000 0.000000\n0.000000 5.116069 0.000000\n0.000000 0.000000 5.116069\nLi La\n1 3\ndirect\n0.500000 0.500000 0.500000 Li\n0.500000 0.000000 0.000000 La\n0.000000 0.500000 0.000000 La\n0.000000 0.000000 0.500000 La\n",
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},
{
"id": "mp-1212400",
"created_at": "2022-09-04T14:46:09.344146Z",
"structure_string": "K8 V4 Cu4 Se8\n1.0\n5.815938 0.000000 0.000000\n2.907969 6.891806 0.000000\n2.907969 0.000000 19.302611\nK V Cu Se\n8 4 4 8\ndirect\n0.676153 0.272692 0.592921 K\n0.730926 0.727308 0.592921 K\n0.051155 0.272692 0.407079 K\n0.073847 0.227308 0.907079 K\n0.541766 0.727308 0.407079 K\n0.019074 0.772692 0.907079 K\n0.698845 0.227308 0.092921 K\n0.208234 0.772692 0.092921 K\n0.875000 0.250000 0.250000 V\n0.875000 0.750000 0.250000 V\n0.875000 0.250000 0.750000 V\n0.375000 0.750000 0.750000 V\n0.375000 0.250000 0.250000 Cu\n0.375000 0.750000 0.250000 Cu\n0.375000 0.250000 0.750000 Cu\n0.875000 0.750000 0.750000 Cu\n0.178247 0.253680 0.151438 Se\n0.670315 0.746320 0.151438 Se\n0.568073 0.253680 0.848562 Se\n0.571753 0.246320 0.348562 Se\n0.583365 0.746320 0.848562 Se\n0.079685 0.753680 0.348562 Se\n0.181927 0.246320 0.651438 Se\n0.166635 0.753680 0.651438 Se\n",
"nsites": 24,
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"formula_full": "K8 V4 Cu4 Se8",
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{
"id": "mp-862800",
"created_at": "2022-09-04T14:47:19.060951Z",
"structure_string": "Pr2 I6\n1.0\n5.585497 -9.674365 0.000000\n5.585497 9.674365 0.000000\n0.000000 0.000000 4.151290\nPr I\n2 6\ndirect\n0.333333 0.666667 0.750000 Pr\n0.666667 0.333333 0.250000 Pr\n0.210150 0.420299 0.250000 I\n0.579701 0.789850 0.250000 I\n0.210150 0.789850 0.250000 I\n0.789850 0.579701 0.750000 I\n0.420299 0.210150 0.750000 I\n0.789850 0.210150 0.750000 I\n",
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},
{
"id": "mp-505260",
"created_at": "2022-09-04T14:41:20.226061Z",
"structure_string": "Te20 Mo6 I20\n1.0\n11.190864 0.000000 0.000000\n4.347814 10.354537 0.000000\n4.405129 0.205668 17.601503\nTe Mo I\n20 6 20\ndirect\n0.942694 0.763816 0.725233 Te\n0.057306 0.236184 0.274767 Te\n0.720496 0.493308 0.719494 Te\n0.279504 0.506692 0.280506 Te\n0.877947 0.576173 0.601730 Te\n0.122053 0.423827 0.398270 Te\n0.822679 0.474688 0.898009 Te\n0.177321 0.525312 0.101991 Te\n0.048770 0.530457 0.871436 Te\n0.951230 0.469543 0.128564 Te\n0.539319 0.749855 0.858917 Te\n0.460681 0.250145 0.141083 Te\n0.609522 0.960434 0.820353 Te\n0.390478 0.039566 0.179647 Te\n0.666147 0.965340 0.627490 Te\n0.333853 0.034660 0.372510 Te\n0.181506 0.436515 0.646543 Te\n0.818494 0.563485 0.353457 Te\n0.925833 0.843270 0.925383 Te\n0.074167 0.156730 0.074617 Te\n0.713017 0.743595 0.720844 Mo\n0.286983 0.256405 0.279156 Mo\n0.935625 0.526211 0.750301 Mo\n0.064375 0.473789 0.249699 Mo\n0.795681 0.726849 0.860123 Mo\n0.204319 0.273151 0.139877 Mo\n0.484276 0.817592 0.651414 I\n0.515724 0.182408 0.348586 I\n0.800236 0.898376 0.476703 I\n0.199764 0.101624 0.523297 I\n0.818104 0.107090 0.654320 I\n0.181896 0.892910 0.345680 I\n0.067904 0.245741 0.736324 I\n0.932096 0.754259 0.263676 I\n0.388776 0.379469 0.722570 I\n0.611224 0.620531 0.277430 I\n0.228959 0.643254 0.555003 I\n0.771041 0.356746 0.444997 I\n0.695317 0.778498 0.022418 I\n0.304683 0.221502 0.977582 I\n0.785272 0.112768 0.926716 I\n0.214728 0.887232 0.073284 I\n0.162933 0.844905 0.820680 I\n0.837067 0.155095 0.179320 I\n0.546215 0.448608 0.885033 I\n0.453785 0.551392 0.114967 I\n",
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{
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"created_at": "2022-09-04T14:39:13.482683Z",
"structure_string": "Mg4 H4 Au8 F44\n1.0\n16.018924 0.000000 0.000000\n0.000000 5.459020 0.000000\n0.000000 0.103037 10.550382\nMg H Au F\n4 4 8 44\ndirect\n0.766281 0.046991 0.385340 Mg\n0.266281 0.953009 0.114660 Mg\n0.233719 0.953009 0.614660 Mg\n0.733719 0.046991 0.885340 Mg\n0.591119 0.991091 0.421175 H\n0.091119 0.008909 0.078825 H\n0.408881 0.008909 0.578825 H\n0.908881 0.991091 0.921175 H\n0.779029 0.545828 0.635947 Au\n0.279029 0.454172 0.864053 Au\n0.220971 0.454172 0.364053 Au\n0.720971 0.545828 0.135947 Au\n0.974058 0.287631 0.254747 Au\n0.474058 0.712369 0.245253 Au\n0.025942 0.712369 0.745253 Au\n0.525942 0.287631 0.754747 Au\n0.649308 0.008726 0.453733 F\n0.149308 0.991274 0.046267 F\n0.350692 0.991274 0.546267 F\n0.850692 0.008726 0.953733 F\n0.793566 0.735546 0.478575 F\n0.293566 0.264454 0.021425 F\n0.206434 0.264454 0.521425 F\n0.706434 0.735546 0.978575 F\n0.796545 0.242806 0.540440 F\n0.296545 0.757194 0.959560 F\n0.203455 0.757194 0.459560 F\n0.703455 0.242806 0.040440 F\n0.767508 0.355098 0.794373 F\n0.267508 0.644902 0.705627 F\n0.232492 0.644902 0.205627 F\n0.732492 0.355098 0.294373 F\n0.762182 0.850580 0.730287 F\n0.262182 0.149420 0.769713 F\n0.237818 0.149420 0.269713 F\n0.737818 0.850580 0.230287 F\n0.884680 0.067571 0.320371 F\n0.384680 0.932429 0.179629 F\n0.115320 0.932429 0.679629 F\n0.615320 0.067571 0.820371 F\n0.943790 0.528470 0.378840 F\n0.443790 0.471530 0.121160 F\n0.056210 0.471530 0.621160 F\n0.556210 0.528470 0.878840 F\n0.893515 0.435635 0.137866 F\n0.393515 0.564365 0.362134 F\n0.106485 0.564365 0.862134 F\n0.606485 0.435635 0.637866 F\n0.061504 0.496198 0.191747 F\n0.561504 0.503802 0.308253 F\n0.938496 0.503802 0.808253 F\n0.438496 0.496198 0.691747 F\n0.005882 0.039681 0.126607 F\n0.505882 0.960319 0.373393 F\n0.994118 0.960319 0.873393 F\n0.494118 0.039681 0.626607 F\n0.054957 0.142783 0.370917 F\n0.554957 0.857217 0.129083 F\n0.945043 0.857217 0.629083 F\n0.445043 0.142783 0.870917 F\n",
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{
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"structure_string": "Cs2 Na1 Ce1 Br6\n1.0\n0.000000 5.851679 5.851679\n5.851679 0.000000 5.851679\n5.851679 5.851679 0.000000\nCs Na Ce Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ce\n0.751983 0.248017 0.248017 Br\n0.248017 0.248017 0.751983 Br\n0.248017 0.751983 0.751983 Br\n0.248017 0.751983 0.248017 Br\n0.751983 0.248017 0.751983 Br\n0.751983 0.751983 0.248017 Br\n",
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{
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"structure_string": "Zn5 Cl2 O9\n1.0\n7.514170 -3.097292 0.000000\n7.514170 3.097292 0.000000\n6.237487 0.000000 5.210541\nZn Cl O\n5 2 9\ndirect\n0.500000 0.500000 0.000000 Zn\n0.000000 0.500000 0.500000 Zn\n0.500000 0.000000 0.500000 Zn\n0.922944 0.922944 0.922944 Zn\n0.077056 0.077056 0.077056 Zn\n0.821144 0.821144 0.821144 Cl\n0.178856 0.178856 0.178856 Cl\n0.125212 0.613166 0.125212 O\n0.125212 0.125212 0.613166 O\n0.613166 0.125212 0.125212 O\n0.874788 0.386834 0.874788 O\n0.874788 0.874788 0.386834 O\n0.386834 0.874788 0.874788 O\n0.620405 0.620405 0.620405 O\n0.379595 0.379595 0.379595 O\n0.500000 0.500000 0.500000 O\n",
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